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(Z)-7-Hexadecenal

PubChem CID: 5364438

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Compound Synonyms (Z)-7-Hexadecenal, 56797-40-1, (Z)-hexadec-7-enal, 7-Hexadecenal, (Z)-, 7Z-Hexadecenal, AI3-35586, 7-Hexadecenal, (7Z)-, (7Z)-Hexadecenal, DTXSID0041193, cis-7-Hexadecenal, (7Z)-7-Hexadecenal, , Z-7-Hexadecenal, (7Z)-7-Hexadecenal #, SCHEMBL557466, (7Z)-HEXADEC-7-ENAL, DTXCID8021193, CHEBI:179682, LMFA06000216, HY-W745644, CS-0791144, NS00120431
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty aldehydes
Deep Smiles CCCCCCCC/C=CCCCCCC=O
Heavy Atom Count 17.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty aldehydes
Isotope Atom Count 0.0
Molecular Complexity 172.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (Z)-hexadec-7-enal
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.1
Gsk 4 400 Rule False
Molecular Formula C16H30O
Prediction Swissadme 0.0
Inchi Key BLJFSPZWKBTYHR-KTKRTIGZSA-N
Silicos It Class Moderately soluble
Fcsp3 0.8125
Logs -3.328
Rotatable Bond Count 13.0
Logd 4.025
Synonyms (z)-7-hexadecenal, 7-hexadecenal, (z)
Esol Class Moderately soluble
Functional Groups C/C=CC, CC=O
Compound Name (Z)-7-Hexadecenal
Prediction Hob Swissadme 0.0
Exact Mass 238.23
Formal Charge 0.0
Monoisotopic Mass 238.23
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 238.41
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
Esol -4.315772999999998
Inchi InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9-
Smiles CCCCCCCC/C=C\CCCCCC=O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Fatty acyls